NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3699 0.0000 0.0000 61.8452 33.0560 175.6650 5 V 3.6279 8.0480 120.9664 62.7205 33.0521 173.2796 6 K 4.6074 9.1336 127.6065 54.8900 33.9088 174.6440 7 L 5.1852 9.4232 128.4383 53.1831 44.5771 174.6895 8 A 5.3825 9.1558 128.6572 50.5327 21.7497 175.4567 9 I 4.4832 9.0987 123.8475 59.6933 39.6691 174.7157 10 V 4.7617 9.0546 128.9503 61.2838 32.9293 174.4317 11 F 5.5132 8.6808 123.6248 55.1914 40.7021 173.5369 12 Y 4.5998 8.5069 123.2141 56.3146 40.6935 175.2111 13 S 4.0376 6.2795 117.1549 57.7091 64.9249 174.4069 14 S 3.7157 7.9881 125.4997 60.6408 62.9997 175.6550 15 T 4.3403 7.1532 108.3303 61.2681 69.4813 175.3163 16 G 4.1963 7.9494 110.7890 45.6002 0.0000 176.3104 17 T 3.7859 8.0348 109.6768 64.7519 68.9113 175.8849 18 G 3.8275 8.1391 110.2730 48.1141 0.0000 174.0557 19 Y 3.8161 8.2274 120.3601 60.6351 39.1593 178.2731 20 A 3.6985 7.7436 119.9665 52.9707 18.7298 178.8753 *22 A 4.1501 8.1122 123.5647 53.6899 20.7129 180.0253 23 Q 3.8266 8.1646 115.0857 58.9881 28.6431 178.8130 24 E 3.8296 8.1114 119.9622 59.1997 29.6221 178.6918 25 A 3.9692 7.9090 120.0831 55.0768 18.3885 179.3029 26 A 3.9527 8.0328 119.2254 55.3047 18.3864 179.6337 27 E 3.8686 8.0719 116.6182 59.5927 29.3326 179.5117 28 A 4.0741 7.9224 119.6167 55.0088 18.7240 179.5517 29 G 3.7241 8.4717 104.5890 48.0629 0.0000 175.6947 30 R 4.1684 8.5590 122.6989 58.1317 30.0153 178.8635 31 A 4.0187 8.0778 118.5995 54.8541 18.2668 178.4178 32 A 4.5115 7.6261 117.1430 51.8175 18.9137 177.9311 33 G 3.7875 8.0079 106.1799 46.8638 0.0000 174.0823 34 A 4.5513 7.6001 120.9103 50.8433 20.9088 176.7266 35 E 4.3974 9.3009 122.3176 55.3660 30.9365 175.2672 36 V 5.1359 8.6190 126.6908 61.2229 34.4422 174.4910 37 R 4.5940 9.3275 126.7515 54.3292 32.6226 174.5402 38 L 4.9073 8.6073 126.4771 53.8231 43.3295 175.4551 39 L 5.1107 9.1038 126.3829 52.7952 45.5141 176.0443 40 K 3.7271 8.7545 123.0396 55.2896 34.9772 175.7266 41 V 3.9162 7.2711 121.9179 61.5345 32.4233 175.9715 42 R 3.8848 8.4884 127.5149 56.5553 30.4799 175.4269 43 E 4.4313 8.7203 126.0104 56.1715 30.3950 176.0748 44 T 4.3546 8.4429 114.6898 62.1629 70.5945 175.0563 45 A 4.1166 7.6499 123.6502 51.3814 19.1263 175.5550 46 P 4.3510 0.0000 0.0000 62.4537 32.4394 177.4549 47 Q 3.8042 8.6742 122.4333 59.3703 29.0664 177.9920 48 D 4.7419 7.8519 114.9938 53.9305 39.6250 176.9735 49 V 4.1333 7.4786 117.0798 65.4572 33.2821 176.5265 50 I 2.4863 6.9628 118.7012 64.4749 36.6837 177.7805 51 D 4.4774 8.3244 118.0053 56.9529 40.6376 178.6990 52 G 3.8025 8.1803 105.7657 45.4681 0.0000 173.6750 53 Q 4.6480 7.7901 118.6451 53.4620 31.9702 175.5322 54 D 4.2819 9.0055 120.4368 57.5783 41.3737 178.0244 55 A 4.0309 8.2040 120.8525 55.1768 18.2141 179.3418 56 W 4.6214 8.1345 127.2576 60.0835 30.9813 177.7172 57 K 3.7486 7.9301 119.5333 59.6092 31.5631 178.3270 58 A 3.9927 8.3455 121.0256 55.3839 17.9519 179.1655 59 N 4.3448 8.5860 115.7762 56.8106 38.7403 177.1745 60 I 3.7576 7.8167 120.6947 64.2737 37.2704 177.6435 61 E 4.1000 7.8591 118.5368 58.9111 29.5384 179.6688 62 A 4.1899 7.8095 119.3312 52.0338 18.5343 178.3615 *64 K 4.2088 8.0146 123.5425 58.0455 33.8202 176.0683 65 D 4.7127 8.0211 114.8674 54.0104 40.9429 175.7829 66 V 4.1570 7.4271 120.0922 60.7136 32.6312 173.9198 67 P 4.5137 0.0000 0.0000 62.7941 32.9757 174.2755 68 E 4.8432 8.3875 121.2579 54.4399 30.6341 175.5689 69 A 4.4822 8.9009 130.2418 52.6307 19.3190 176.6624 70 T 4.8998 9.2148 109.0090 58.6825 72.0911 173.1218 71 P 4.2975 0.0000 0.0000 65.9531 31.1461 178.7424 72 A 4.1547 8.0672 118.9262 54.9456 18.3306 179.1678 73 D 4.6089 8.3535 117.8420 57.5520 40.6064 178.9002 74 L 4.2294 8.0350 118.5536 57.6221 41.8182 178.5146 75 E 4.0873 7.8745 118.4509 58.9637 29.6538 178.3326 76 W 4.2647 8.6551 127.8199 59.4566 31.1155 176.3809 77 A 3.5611 7.3997 120.1470 51.8391 18.9219 176.4421 78 E 4.5160 8.7834 119.0130 56.5709 32.2571 176.1277 79 A 5.2283 7.8117 120.2802 49.9918 22.3721 175.2249 80 I 5.0130 9.5127 123.2114 59.4986 41.1497 175.1795 81 V 4.3097 8.6358 124.7638 61.3909 34.5956 173.9026 82 F 5.6724 8.1445 127.5035 56.3395 41.2796 175.1424 83 S 5.0517 9.0675 117.2655 56.6431 65.7721 172.6026 84 S 5.1172 8.6154 120.8165 55.8091 65.7659 171.3240 85 P 4.9092 0.0000 0.0000 63.4659 31.6476 175.8553 86 T 4.4765 8.3098 111.5162 61.4102 70.4396 174.9688 87 R 4.0513 8.8358 123.4242 55.4893 31.5659 174.9865 88 F 3.8912 9.1981 126.7474 58.5447 36.4939 176.9153 89 G 4.0295 8.6405 109.1968 45.2233 0.0000 173.9518 90 G 3.9714 7.4447 108.4160 43.4974 0.0000 172.7591 91 A 4.5373 8.1538 122.3531 51.2828 19.1821 177.4501 92 T 4.1122 7.8310 109.8164 61.2545 69.6054 175.2867 93 S 4.1737 8.4810 117.4756 61.6593 62.9646 176.5077 94 Q 3.9485 7.7615 117.0167 56.9538 28.7670 178.4281 *96 R 4.2503 8.1034 119.0480 56.2679 32.0799 177.5265 97 A 3.9942 8.1661 118.6875 55.3825 18.1966 179.1461 98 F 4.3135 7.9663 118.1644 61.4906 39.4168 177.5060 99 I 3.6342 7.6058 119.0284 64.2292 36.8941 177.3909 100 D 4.5997 8.5056 116.8040 55.5187 40.4649 176.7762 101 T 4.4720 7.1052 108.6918 61.5518 69.1504 175.0384 102 L 4.6127 7.7431 120.9742 54.9866 42.0240 178.7115 103 G 3.7134 7.9483 108.3784 48.1403 0.0000 176.6080 104 G 3.6949 8.0465 108.3268 46.6249 0.0000 175.3546 105 L 4.0588 7.8600 122.0545 57.2255 42.1561 178.7389 106 W 4.0584 8.2520 128.9756 60.4816 30.3323 178.2832 107 S 3.4585 8.5482 114.5857 61.0442 62.2429 176.2231 108 S 4.2026 7.7894 116.8156 59.2829 62.4501 175.4688 109 G 3.7134 7.8083 110.8009 45.6695 0.0000 174.9136 110 K 4.2016 7.3754 116.5789 57.2756 32.3858 178.0698 111 L 4.0329 7.6790 119.0227 56.5071 42.1029 176.9845 112 A 4.2595 7.2182 120.9334 53.9541 18.5491 177.3158 113 N 4.5096 8.9816 118.1835 53.3285 37.2340 175.0009 114 K 4.4624 7.5991 118.4213 56.5580 33.6181 176.3633 115 T 4.9491 8.6962 119.9769 63.2808 70.1674 173.7353 116 F 5.4160 9.1204 127.2921 56.7467 43.1338 173.7200 117 S 5.3280 8.0061 119.0196 57.8293 66.6789 171.2266 118 A 5.3660 7.8991 118.7314 52.6383 22.3444 174.9763 *120 T 4.7460 8.5605 111.1891 62.7453 69.2440 172.9503 121 S 5.2280 8.1998 116.0126 57.3022 66.6553 172.5629 122 A 4.6684 8.6428 121.6594 51.4775 22.7188 177.8870 123 Q 4.3652 8.7452 117.2760 58.4663 29.2765 176.9346 124 N 4.9419 7.7457 114.7993 51.3222 40.5148 176.2889 125 V 3.7638 8.4968 114.9350 64.3881 31.6793 177.1882 126 N 5.0059 8.1114 114.2816 53.0338 39.4148 175.1008 127 G 3.8989 7.9002 106.6153 45.4045 0.0000 175.4405 128 G 4.2221 8.1724 103.8526 45.7263 0.0000 175.2992 129 Q 4.1028 8.0132 119.1176 57.5156 28.9514 177.2572 130 E 4.5071 7.9982 119.1906 58.5374 30.6966 177.7643 131 T 3.8131 7.8812 109.2068 65.6142 68.5126 175.9462 132 T 3.9456 7.6983 118.5334 66.2514 68.3532 176.6270 133 L 3.9971 7.8685 120.4600 57.6468 41.5581 178.8647 134 Q 4.0459 7.8333 118.9829 59.4816 28.9663 178.4391 135 T 3.9982 7.9487 109.9158 64.9189 68.6877 176.4184 136 L 4.1601 7.8429 121.6266 56.9082 41.4081 177.2333 137 Y 4.1309 7.8438 116.5888 58.8128 39.0315 176.5695 *139 T 3.9573 7.9590 115.6909 61.9679 69.3092 174.5789 140 A 2.5800 6.2987 123.9188 51.6099 17.5156 178.7309 *142 H 4.7435 8.1439 118.7080 56.7663 30.8936 175.5316 143 W 4.7617 7.7327 118.4892 57.7503 29.4701 176.0376 144 G 3.6917 8.3057 105.8604 46.3786 0.0000 172.9800 145 A 4.8775 7.9733 119.9827 51.2445 20.6362 178.2779 146 V 4.2985 8.5163 118.9380 60.2047 33.1988 175.1366 147 L 5.0710 8.5882 126.3360 53.7367 42.6128 177.5127 148 T 4.7853 8.4975 113.5944 59.3759 67.3547 171.8735 149 P 4.6112 0.0000 0.0000 62.3265 32.8198 175.8245 150 P 4.1978 0.0000 0.0000 63.6822 31.9005 178.0667 151 G 3.4393 7.8617 108.0494 45.6366 0.0000 171.6167 152 Y 4.3762 8.1463 119.8637 57.1706 37.7780 175.0035 153 T 4.7266 7.9246 114.6545 60.7611 70.1006 172.9984 154 D 4.4729 7.4471 119.3720 53.2633 44.5095 176.6308 155 E 4.5235 8.4908 121.0196 59.2029 29.4108 179.1525 156 V 3.6628 7.8244 119.1641 64.6702 31.3453 178.2205 157 I 3.5947 7.3403 119.5160 64.1843 36.9508 177.9284 158 F 4.2500 7.9830 117.9490 60.9397 38.6711 177.6250 159 K 4.3941 8.3617 114.7217 57.6034 31.9465 178.1826 160 S 4.7222 7.2162 113.3378 57.4917 63.7482 174.4228 161 G 3.9782 8.5667 109.4642 44.6747 0.0000 174.0030 162 G 3.7876 8.0604 108.8569 45.7446 0.0000 171.2474 163 N 4.6298 7.5549 119.2226 51.1879 39.8026 173.1752 164 P 3.6472 0.0000 0.0000 64.4744 31.8509 178.5905 165 Y 4.0890 7.3096 116.6731 59.4363 37.9153 175.6868 166 G 4.0896 7.2441 106.3269 44.6385 0.0000 172.1236 167 A 4.1655 8.8350 123.4357 52.4511 18.7984 177.3884 168 S 5.5458 8.2177 114.6110 56.6948 66.3811 173.4164 169 V 4.4440 8.3086 122.0092 61.2522 34.5341 174.2893 170 T 4.5595 8.6528 124.3502 63.4666 69.3671 174.2823 171 A 4.5988 9.7915 131.5949 50.5964 19.4350 176.6024 172 N 4.7365 8.9223 117.0637 53.2088 38.4663 174.9700 173 G 4.0927 8.2120 106.7280 45.8840 0.0000 174.3219 174 Q 4.0973 8.6059 120.1588 54.8547 29.6344 174.0426 175 P 4.2925 0.0000 0.0000 62.4565 31.9517 176.1007 176 L 3.8645 8.4337 120.2842 55.1883 42.3404 177.4560 177 L 4.2095 8.3302 122.3130 54.3164 42.5281 177.9589 178 E 4.0275 8.7600 122.6489 59.0262 29.5967 178.8795 179 N 4.4363 8.1449 116.7881 55.7136 37.4141 176.8544 180 D 4.3515 8.0806 121.4655 57.1139 41.0597 178.6475 181 R 3.8945 8.0031 117.8656 59.3731 30.0675 178.7984 182 A 3.9961 7.9977 120.4058 55.1750 18.3004 179.6374 183 S 4.0743 7.8899 111.2273 61.4710 62.4999 176.5760 184 I 3.7103 8.2183 122.9199 64.5272 37.0510 178.5866 185 R 3.9532 8.6039 119.1957 59.3717 29.8097 178.7744 186 H 4.1831 8.0959 117.7158 59.2332 30.0136 176.9712 187 Q 3.8082 7.7816 121.0577 59.1831 28.7564 178.6606 188 V 3.5142 7.6630 118.9097 66.0649 31.7795 177.9282 189 R 3.8498 7.8212 118.1788 59.3826 29.9721 178.3528 190 R 3.8442 8.4128 118.8898 59.5361 30.0692 178.3629 191 Q 3.9897 7.9208 119.2352 58.8271 28.9227 178.2292 192 V 3.5517 8.0900 119.7514 66.1178 31.7657 177.8575 193 E 3.9611 8.0387 117.9624 59.2947 29.1551 179.5218 194 L 3.9496 7.8350 118.4522 58.1936 41.7949 179.2748 195 T 3.8491 7.8743 115.4420 66.8233 68.3762 176.2189 196 A 3.9506 8.2797 122.5027 55.1253 18.4256 179.6926 197 K 3.8535 7.8460 116.4196 59.6308 32.2251 179.1976 198 L 3.9685 8.1583 119.3748 58.0285 41.3958 179.6044 199 L 3.9426 7.6216 117.1042 57.8331 41.7605 178.6671 200 E 4.1385 8.5611 119.6773 59.7366 29.3366 179.0951 201 G 3.9352 8.1804 103.1079 46.1280 0.0000 174.3786 202 G 3.9257 7.4451 107.0046 44.7255 0.0000 173.7386 203 S 4.3375 7.7188 121.3127 58.2321 64.0120 168.7897 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 P 0.00 4.37 0.00 2.08 2.28 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 5 V 8.05 3.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 6 K 9.13 4.61 0.00 0.98 0.74 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.12 7.81 7 L 9.42 5.19 0.00 1.73 1.75 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.16 5.38 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 9.10 4.48 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 1.01 0.00 0.00 10 V 9.05 4.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 1.17 0.00 0.00 11 F 8.68 5.51 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.51 4.60 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 6.28 4.04 0.00 3.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.99 3.72 0.00 3.31 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.15 4.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 16 G 7.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.03 3.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 18 G 8.14 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.23 3.82 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.74 3.70 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 A 8.11 4.15 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.16 3.83 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 1.98 1.76 0.00 24 E 8.11 3.83 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 25 A 7.91 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.03 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.07 3.87 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 28 A 7.92 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.47 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.56 4.17 0.00 2.02 2.03 0.00 3.16 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 31 A 8.08 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.63 4.51 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.60 4.55 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.30 4.40 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 36 V 8.62 5.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.12 0.00 0.00 37 R 9.33 4.59 0.00 1.76 1.70 0.00 2.21 0.00 0.00 2.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.00 38 L 8.61 4.91 0.00 1.70 1.66 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.10 5.11 0.00 1.55 1.48 1.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.75 3.73 0.00 1.08 1.41 0.00 1.10 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.14 7.81 41 V 7.27 3.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.56 0.00 0.00 42 R 8.49 3.88 0.00 1.98 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0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.36 0.38 0.00 0.00 51 D 8.32 4.48 0.00 2.56 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.18 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.79 4.65 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 54 D 9.01 4.28 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.20 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.13 4.62 0.00 3.40 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.93 3.75 0.00 1.79 1.94 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.41 7.81 58 A 8.35 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.59 4.34 0.00 3.01 3.20 0.00 0.00 7.29 8.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.82 3.76 1.99 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.87 0.00 0.00 61 E 7.86 4.10 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 62 A 7.81 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 K 8.01 4.21 0.00 1.83 1.92 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 65 D 8.02 4.71 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.43 4.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.09 0.00 0.00 67 P 0.00 4.51 0.00 2.10 2.13 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.92 0.00 68 E 8.39 4.84 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 69 A 8.90 4.48 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.21 4.90 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 P 0.00 4.30 0.00 2.18 2.11 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 72 A 8.07 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.35 4.61 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.03 4.23 0.00 1.77 1.75 1.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.87 4.09 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 76 W 8.66 4.26 0.00 3.28 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 *120 T 8.56 4.75 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 121 S 8.20 5.23 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.64 4.67 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.75 4.37 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 124 N 7.75 4.94 0.00 2.75 2.72 0.00 0.00 7.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.50 3.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 126 N 8.11 5.01 0.00 2.69 2.81 0.00 0.00 6.80 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.17 4.22 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.84 4.13 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *139 T 7.96 3.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 140 A 6.30 2.58 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 H 8.14 4.74 0.00 3.02 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 W 7.73 4.76 0.00 3.46 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.31 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.97 4.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.52 4.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 147 L 8.59 5.07 0.00 1.57 1.77 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.50 4.79 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 149 P 0.00 4.61 0.00 2.27 2.09 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 150 P 0.00 4.20 0.00 2.15 2.16 0.00 4.03 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 151 G 7.86 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.15 4.38 0.00 2.82 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.92 4.73 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 154 D 7.45 4.47 0.00 2.45 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.49 4.52 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 156 V 7.82 3.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 157 I 7.34 3.59 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.63 0.00 0.00 158 F 7.98 4.25 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.36 4.39 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 160 S 7.22 4.72 0.00 4.25 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.57 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.06 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 N 7.55 4.63 0.00 2.68 2.80 0.00 0.00 6.82 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 3.65 0.00 1.56 0.89 0.00 3.41 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.30 0.00 165 Y 7.31 4.09 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 7.24 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.84 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.22 5.55 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 8.31 4.44 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 170 T 8.65 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 171 A 9.79 4.60 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.92 4.74 0.00 2.80 2.92 0.00 0.00 6.57 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 8.21 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.61 4.10 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 175 P 0.00 4.29 0.00 2.06 1.97 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 176 L 8.43 3.86 0.00 1.57 1.62 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.33 4.21 0.00 1.71 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.76 4.03 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 179 N 8.14 4.44 0.00 3.05 3.08 0.00 0.00 6.32 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.08 4.35 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.00 3.89 0.00 2.12 1.97 0.00 3.31 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 182 A 8.00 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 7.89 4.07 0.00 3.91 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 I 8.22 3.71 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.88 0.00 0.00 185 R 8.60 3.95 0.00 1.84 1.99 0.00 3.12 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 186 H 8.10 4.18 0.00 3.23 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 7.78 3.81 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 188 V 7.66 3.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 189 R 7.82 3.85 0.00 2.07 1.93 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 190 R 8.41 3.84 0.00 1.70 2.04 0.00 3.03 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 191 Q 7.92 3.99 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 192 V 8.09 3.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 193 E 8.04 3.96 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 194 L 7.83 3.95 0.00 1.72 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 195 T 7.87 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 196 A 8.28 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 7.85 3.85 0.00 2.03 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 198 L 8.16 3.97 0.00 1.87 1.73 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 199 L 7.62 3.94 0.00 1.76 1.71 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.56 4.14 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 201 G 8.18 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 7.45 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 7.72 4.34 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.